logo   logo
logo Search | Help | MolPaint | Roadmap | Credits | Feedback


NCID-ZINC01655442

 MMsINC code: MMs02294027
Type: Neutral
Formula: C5H4N2O4
SMILES:   O=C/1NC(=O)N\C\1=C/C(O)=O
InChI:   InChI=1/C5H4N2O4/c8-3(9)1-2-4(10)7-5(11)6-2/h1H,(H,8,9)(H2,6,7,10,11)/b2-1-

Download   format file 
Similarity to PDB ligands  
This browser does not support Java Applets.
Get the latest Java Plug-in here.
download 2D Mol File



download 3D Mol File

Potential Energy
Epot(MMFF94)=-17.3469 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 156.097 g/mol  logS: -0.70769  SlogP: -1.2057  Reactive groups: 0
 
 Topological Properties
  Globularity: 1.72608e-06  Sterimol/B1: 2.097  Sterimol/B2: 2.09709  Sterimol/B3: 3.31129
  Sterimol/B4: 4.53701  Sterimol/L: 10.1861 
 
 Surface and Volume Properties
  Accessible surface: 301.196  Positive charged surface: 158.47  Negative charged surface: 142.727  Volume: 117
  Hydrophobic surface: 42.1619  Hydrophilic surface: 259.0341
 
 Pharmacophoric Properties
  Hydrogen bond donors: 4  Hydrogen bond acceptors: 4  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
  search links for this molecule:  
   

Ions/Tautomers related molecules


MMs02294028
NCID-ZINC01655442